Molecular formula assignment and recalibration with MFAssignR package.
1.0

Workflow Type: Galaxy

This workflow can be used to assign multi-element molecular formulas to ultrahigh resolution mass spectra.

Associated Tutorial

This workflows is part of the tutorial Molecular formula assignment and mass recalibration with MFAssignR package, available in the GTN

Features

Thanks to...

Workflow Author(s): RECETOX, MUNI, Kristina Gomoryova, Helge Hecht

Tutorial Author(s): Kristina Gomoryova, Helge Hecht, Simeon Schum

Tutorial Contributor(s): Helge Hecht, Kristina Gomoryova, Saskia Hiltemann

gtn star logo followed by the word workflows

Steps

ID Name Description
1 MFAssignR KMDNoise toolshed.g2.bx.psu.edu/repos/recetox/mfassignr_kmdnoise/mfassignr_kmdnoise/1.1.1+galaxy0
2 MFAssignR HistNoise toolshed.g2.bx.psu.edu/repos/recetox/mfassignr_histnoise/mfassignr_histnoise/1.1.1+galaxy0
3 MFAssignR SNplot toolshed.g2.bx.psu.edu/repos/recetox/mfassignr_snplot/mfassignr_snplot/1.1.1+galaxy0
4 MFAssignR IsoFiltR toolshed.g2.bx.psu.edu/repos/recetox/mfassignr_isofiltr/mfassignr_isofiltr/1.1.1+galaxy0
5 MFAssignR MFAssignCHO toolshed.g2.bx.psu.edu/repos/recetox/mfassignr_mfassigncho/mfassignr_mfassignCHO/1.1.1+galaxy0
6 MFAssignR RecalList toolshed.g2.bx.psu.edu/repos/recetox/mfassignr_recallist/mfassignr_recallist/1.1.1+galaxy0
7 MFAssignR FindRecalSeries toolshed.g2.bx.psu.edu/repos/recetox/mfassignr_findrecalseries/mfassignr_findRecalSeries/1.1.2+galaxy1
8 MFAssignR Recal toolshed.g2.bx.psu.edu/repos/recetox/mfassignr_recal/mfassignr_recal/1.1.1+galaxy0
9 MFAssignR MFAssign toolshed.g2.bx.psu.edu/repos/recetox/mfassignr_mfassign/mfassignr_mfassign/1.1.1+galaxy0

Version History

1.0 (earliest) Created 2nd Jun 2025 at 11:00 by GTN Bot

Added/updated 4 files


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Created: 2nd Jun 2025 at 11:00

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